{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.692556 0.25 ] [ 0 0.307444 0.75 ] [ 0.5 0.192556 0.25 ] [ 0.5 0.807444 0.75 ] [ 0 0.173581 0.25 ] [ 0 0.826419 0.75 ] [ 0.5 0.673581 0.25 ] [ 0.5 0.326419 0.75 ] [ 0.144249 0.149429 0.098435 ] [ 0.138902 0.557084 0.158228 ] [ 0.361098 0.057084 0.341772 ] [ 0.355751 0.649429 0.401565 ] [ 0.644249 0.350571 0.598435 ] [ 0.638902 0.942916 0.658228 ] [ 0.861098 0.442916 0.841772 ] [ 0.855751 0.850571 0.901565 ] [ 0.644249 0.649429 0.098435 ] [ 0.638902 0.057084 0.158228 ] [ 0.861098 0.557084 0.341772 ] [ 0.855751 0.149429 0.401565 ] [ 0.144249 0.850571 0.598435 ] [ 0.138902 0.442916 0.658228 ] [ 0.361098 0.942916 0.841772 ] [ 0.355751 0.350571 0.901565 ] [ 0.121004 0.717971 0.044606 ] [ 0.153263 0.371046 0.080442 ] [ 0.124462 0.106275 0.225552 ] [ 0.250466 0.07518 0.159294 ] [ 0.931951 0.912633 0.086048 ] [ 0.249534 0.57518 0.340706 ] [ 0.375538 0.606275 0.274448 ] [ 0.931226 0.519464 0.298307 ] [ 0.068774 0.519464 0.201693 ] [ 0.346737 0.871046 0.419558 ] [ 0.378996 0.217971 0.455394 ] [ 0.068049 0.912633 0.413952 ] [ 0.931951 0.087367 0.586048 ] [ 0.621004 0.782029 0.544606 ] [ 0.653263 0.128954 0.580442 ] [ 0.931226 0.480536 0.798307 ] [ 0.068774 0.480536 0.701693 ] [ 0.624462 0.393725 0.725552 ] [ 0.750466 0.42482 0.659294 ] [ 0.068049 0.087367 0.913952 ] [ 0.749534 0.92482 0.840706 ] [ 0.875538 0.893725 0.774448 ] [ 0.846737 0.628954 0.919558 ] [ 0.878996 0.282029 0.955394 ] [ 0.621004 0.217971 0.044606 ] [ 0.653263 0.871046 0.080442 ] [ 0.624462 0.606275 0.225552 ] [ 0.750466 0.57518 0.159294 ] [ 0.431951 0.412633 0.086048 ] [ 0.749534 0.07518 0.340706 ] [ 0.875538 0.106275 0.274448 ] [ 0.431226 0.019464 0.298307 ] [ 0.568774 0.019464 0.201693 ] [ 0.846737 0.371046 0.419558 ] [ 0.878996 0.717971 0.455394 ] [ 0.568049 0.412633 0.413952 ] [ 0.431951 0.587367 0.586048 ] [ 0.121004 0.282029 0.544606 ] [ 0.153263 0.628954 0.580442 ] [ 0.431226 0.980536 0.798307 ] [ 0.568774 0.980536 0.701693 ] [ 0.124462 0.893725 0.725552 ] [ 0.250466 0.92482 0.659294 ] [ 0.568049 0.587367 0.913952 ] [ 0.249534 0.42482 0.840706 ] [ 0.375538 0.393725 0.774448 ] [ 0.346737 0.128954 0.919558 ] [ 0.378996 0.782029 0.955394 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.7536469803 "source-unit" "angstrom" } "b" { "source-value" 7.12874691402 "source-unit" "angstrom" } "c" { "source-value" 9.8200790855 "source-unit" "angstrom" } "beta" { "source-value" 127.12253688 "source-unit" "degree" } }